| CAS Number | 59801-41-1 |
| Catalog Number | AG003K3X(AGN-PC-0NIK2N) |
| Chemical Name | 4-(4-Hydroxybutyl)thiomorpholine 1,1-dioxide |
| IUPAC Name | 4-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-ol |
| InChI | InChI=1S/C8H17NO3S/c10-6-2-1-3-9-4-7-13(11,12)8-5-9/h10H,1-8H2 |
| InChI Key | STKAHXPYHDVHGO-UHFFFAOYSA-N |
| MDL Number | MFCD09038525 |
| Molecular Formula | C8H17NO3S |
| Molecular Weight | 207.2905 |
| SMILES | OCCCCN1CCS(=O)(=O)CC1 |
| Synonyms | 4-(4-Hydroxybutyl)thiomorpholine 1,1-Dioxide,
59801-41-1,
ACMC-209mfs,
SCHEMBL2850740,
CTK5B0514,
DTXSID10489120,
ANW-33350,
MFCD09038525,
ZINC36162952,
4-(1,1-Dioxothiomorpholino)-1-butanol,
TC-122095,
4-(4-Hydroxybutyl)thiomorpholin- 1,1-dioxide,
4-(4-Hydroxybutyl)-1lambda~6~,4-thiazinane-1,1-dione,
4- THIOMORPHOLINE1,1-DIOXIDE,
H1142,
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| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.288g/mol |
| Monoisotopic Mass | 207.093g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number